1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- (CAS 42780-01-8) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-, 2,5-Dimethyl-1-(4-ethoxyphenyl)-1H-pyrrole-3-acetic acid, [1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid, 2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid, BRN 0418501
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 42780-01-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=CC(=C2C)CC(=O)O)C |
| InChIKey | WFOHOJNXYZKFEU-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- (CAS 42780-01-8), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-. With a topological polar surface area (TPSA) of 51.5 Ų, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- is 42780-01-8.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- is C16H19NO3.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- is 273.14 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.